SCHEMBL1783683

SCHEMBL1783683

Nc1nc(C=NO)c2c(n1)CC(c1cccs1)CC2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAP1LC3B Q9GZQ8 5/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.36
AGTR1 P30556 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1781501 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1MAP1LC3BPOLBMAPT
SCHEMBL1779917 0.80 HSP90AA1 (0.65) ADORA2AADORA1HSP90AA1HSP90AB1MAP1LC3B
SCHEMBL1781095 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAP1LC3BMAPTTSHR
SCHEMBL1782180 0.78 ALDH1A1 (0.56) HSP90AA1HSP90AB1MAP1LC3BPOLBMAPT
SCHEMBL1783198 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAP1LC3BMAPTTSHR
SCHEMBL1782384 0.77 HSP90AA1 (0.49) HSP90AA1HSP90AB1MAP1LC3BPOLBMAPT
SCHEMBL1780943 0.76 HSP90AA1 (0.48) HSP90AA1HSP90AB1MAP1LC3BMAPTGAA
SCHEMBL1780976 0.76 HSP90AA1 (0.46) ADORA2AADORA1HSP90AA1HSP90AB1MAP1LC3B
SCHEMBL1782111 0.75 MAP1LC3B (0.46) ADORA2AADORA1HSP90AA1HSP90AB1MAP1LC3B
SCHEMBL1781169 0.73 HSP90AA1 (0.44) ADORA2AADORA1HSP90AA1HSP90AB1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 ADORA2A 3956/4885ADORA1 3077/4885HSP90AA1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.